Search Results (492)

The $\delta$-complement $G_{\delta }$ of a graph G, introduced by Pai et al., is a variant of the ordinary complement that toggles edges only between vertices of equal degree. Tangjai et al. recently established Nordhaus–Gaddum-type bounds for the ordinary domination number on G and $G_{\delta }$, raising the natural question of analogous bounds for stronger domination invariants. We prove a sharp Nordhaus–Gaddum-type bound on the Roman domination number of the form ${\gamma }_R\left(G\right)+{\gamma }_R\left(G_{\delta }\right)\le n+3k-2s_1-s_2$, where n is the order of G, k is the number of distinct vertex degrees, and $s_1,s_2$ count degree classes of size 1 and 2, respectively. The bound strictly refines the trivial estimate $2(n+k)$ and is attained on an explicit infinite family of graphs of the form $m{K}_2$. For the total domination number, we pose the corresponding conjecture ${\gamma }_t\left(G\right)+{\gamma }_t\left(G_{\delta }\right)\le n+2k$ whenever G and $G_{\delta }$ have no isolated vertices. We are able to settle this bound only in part: we prove it unconditionally on the subclass of graphs whose every degree-class subgraph and its complement are free of isolated vertices, and we verify it computationally for all orders $3\le n\le 8$, but a proof in full generality remains open, so the bound is stated as a conjecture. The Roman bound is likewise checked by exhaustive enumeration of all $13,595$ non-isomorphic simple graphs of orders $3\le n\le 8$, with zero violations and all 26 sharp instances identified. Full article

The diversity of cyanobacteria from the semi-arid region of Rajasthan, India, remains vastly unexplored and warrants systematic investigation. We isolated two cyanobacterial strains (SN2022/33 & AT2016/25) of non-heterocytous, filamentous cyanobacterium from samples of sandy soil biological crusts and investigated them using a polyphasic approach. Based on 16S rRNA gene sequence identity, both strains formed a distinct lineage, with 16S sequence identity (p-distance) < 95% to the closest sister genera Trichocoleus, Venetifunis, Trichothermofontia, and Pinocchia. Analyses of 16S-23S Internal Transcribed Spacer (ITS) secondary structures (D1-D1′, BoxB, and V3 helixes) yielded substantial differences from phylogenetically associated taxa. Morphologically, both strains corresponded to members of the family Trichocoleusaceae (Leptolyngbyales), with tapered filaments and conical-pointed end cells. Most significantly, this taxon exhibited a form of true branching, with prolific unilateral or bilateral extrusions, something that had previously been the exclusive purview of members of the Nostocaceae. The combined evidence from conventional and molecular studies supports the recognition of the isolates as a novel taxon hereby described as Edaphifilum ginni gen. et sp. nov., in accordance with the International Code of Nomenclature (ICN) for Algae, Fungi, and Plants. Full article

Cyclone separators remain widely used for gas–solid separation, yet analytical prediction of cut size and pressure drop remains challenging. This study presents an explicit semi-empirical model for the cut size (d₅₀) of reverse-flow cyclones based on the radial particle equation of motion in cylindrical coordinates, with d₅₀ obtained by equating radial migration time and residence time. A closed-form solution is derived in the Stokes regime, whereas non-Stokes behavior is handled numerically through the Schiller–Naumann drag correction. Turbulence is incorporated through a phenomenological correction, and the grade–efficiency curve is represented by a logistic relation. The model was implemented in MATLAB R2025a and applied in a parametric study covering inlet velocity, particle density, cyclone diameter, and gas viscosity. A Euler-type pressure drop relation was included to examine the separation–energy trade-off. Validation on the Kim et al. benchmark using one calibration point per cyclone family and six independent verification cases yielded a mean absolute percentage error of 13.5% and a root mean square error of 0.22 μm for d₅₀; the paired pressure drop check gave a 2.8% mean absolute percentage error. A complementary benchmark based on Wang et al. using 15 cm 1D3D and 2D2D cyclones under actual-air and standard-air conditions further supported the family-calibrated use of the model. A separate scale-up test showed that constant swirl intensity similarity is not transferable across large diameter changes. The formulation provides a transparent reduced-order tool for preliminary design and sensitivity analysis. Full article

Selected organic sunscreens from different chemical families were investigated in the context of their ability to inhibit butyrylcholinesterase using novel Multiple Linear Regression, Artificial Neural Network, and Support Vector Regression models based on a set of six independent variables commonly associated with compounds’ absorption and distribution properties. It was established that the descriptors that have a particularly strong, positive influence on the ability of compounds to inhibit BChE expressed as pIC₅₀ are the count of rotatable bonds (nRot) and lipophilicity (logD); pIC₅₀ is negatively correlated with flexibility (Flex), fraction of sp³ carbon atoms (F_sp3), caco-2 permeability (caco2), and plasma protein binding ability (PPB). The sunscreens that are likely to be particularly strong BChE inhibitors are Ethylhexyl Triazone (ET), Diethylhexyl Butamido Triazone (DOBT), Octocrylene (OCR), and Diethylamino Hydroxybenzoyl Hexyl Benzoate (DHHB). However, it must be stressed that ET and DOBT lie outside the chemical space of the reference compounds, so predictions for these two compounds should be treated with caution. Full article

Spi-1 Proto-Oncogene (SPI1) encodes Purine-rich box 1 Transcription Factor (PU.1), a transcription factor of the ETS family that regulates hematopoietic lineage commitment and immune cell differentiation. Alteration of PU.1 dose or ETS domain integrity may interfere with transcriptional programs, which adds to hematopoietic dysregulation and leukemogenesis. Even though changes in SPI1 expression have been associated with acute myeloid leukemia (AML), the structural and regulatory effects of missense mutations at the PU.1 ETS domain have not been entirely studied, and targeting the PU.1 ETS domain by ligands is an area of computational analysis that should be further pursued. To computationally describe deleterious missense variants of SPI1 in terms of structural stability, evolutionary conservation, post-translational modification (PTM) context and interaction networks, and to measure ADMET-mediated molecular docking of cinnamic acid with the PU.1 ETS domain (8EQG) as a potential modulator. Missense nsSNPs were obtained through Ensembl and narrowed down by consensus prediction of pathogenicity (PredictSNP, combining SIFT, PolyPhen, SNAP and PhD-SNP and other tools). InterPro/UniProt was used for domain mapping. SWISS-MODEL was used to produce wild-type and mutant PU.1 versions, which were analyzed on the structural alignment and Cα–Cα displacement parameters in UCSF Chimera (v1.19). The estimation of stability change was carried out with I-Mutant and MUpro. Prediction of PTM sites was done using MusiteDeep and exploration of functional partners was done using STRING. Human, mouse and zebrafish orthologue conservation was measured by means of MAFFT alignment. GEPIA2 was used to compare the expression of SPI1 in AML (TCGA-LAML) and normal tissues (GTEx). AutoDock Vina (grid center 6, −2, −9 A; 20 × 20 × 20 A; 16 exhaustiveness) was used to prepare cinnamic acid and dock it into the PU.1 ETS domain (8EQG), with SwissDock being used for consistency checks. SwissADME and ADMETlab 2.0 were used to predict drug-likeness, pharmacokinetics, and toxicity. Nine missense mutations were routinely considered as deleterious with the majority of them being located in or near the ETS DNA-binding domain. Structural comparisons showed local perturbations of the structure and I189F and H211P yielded the greatest conformational changes between prioritized variants whereas other forms had minimal movements. A predominantly destabilizing trend was supported by stability prediction whereby V241G had the strongest destabilization signal with further destabilizations being predicted in I189F and R259C. PTM mapping revealed several potential regulatory residues (phosphorylation, acetylation, ubiquitination, and methylation), which indicated that there could be crosstalk between the sequence variation and the transcriptional regulation. The SPI1 was placed in a central hematopoietic transcriptional module (containing RUNX1, CEBP members, GATA1 and IRF factors) by the STRING network. The cross-species alignment showed that there was high conservation of a number of the mutation sites, which would support functional constraint at the ETS region. The expression analysis revealed that the level of SPI1 mRNA in AML was significantly elevated compared to normal tissues. Docking also indicated a slight and reproducible interaction of cinnamic acid with the ETS domain (top affinity −4.27 kcal/mol), with a solitary leading polar anchor and supportive hydrophobic interactions, which is akin to interaction between fragments. The ADMET profiling revealed the likelihood of success in the oral drug-likeness and low CYP inhibition liability, as well as signifying the presence of a possible hepatotoxicity signal that needs further confirmation through experiments. Comprehensive computational studies suggest that certain pathogenic variants of SPI1 missense defects, especially in the ETS domain, can result in loss of PU.1 structural stability and regulatory environment, which are in line with the disturbed hematopoietic regulation and AML-related dysregulation. Cinnamic acid demonstrates moderate yet reproducible binding to the PU.1 ETS domain and has an overall favorable developability profile, which indicates that it is better considered as a starting scaffold, as opposed to an active inhibitor. The results give a logical basis of focused biochemical validation and structure-directed optimization of ETS domain modulators in hematologic disease settings. Full article

Panax vietnamensis Ha et Grushv. (Vietnamese ginseng) is a plant of the Panax genus, Araliaceae family. It is a rare medicinal plant found in China and Vietnam, known for its structurally diverse ginsenosides, and holds significant value in the pharmaceutical and health food sectors. As market demand and its value continue to rise, the P. vietnamensis industry has developed rapidly. However, since Vietnamese ginseng is difficult to distinguish from other Panax materials based on appearance, especially Panax notoginseng, there is a lack of relevant standards for quality control. In this study, UPLC-Q/TOF-MS technology was employed for the qualitative identification and comparative analysis of ginsenosides in different parts of P. vietnamensis and three other Panax species. Additionally, an UFLC-MS/MS method was established to determine the content of 21 ginsenosides in P. vietnamensis. Based on the UPLC-Q/TOF-MS analysis, 55 ginsenosides were preliminarily identified, including 30 protopanaxadiol-type, 21 protopanaxatriol-type, 3 ocotillol-type, and 1 oleanane-type ginsenosides. Further comparative analysis revealed variations in the ginsenosides of P. vietnamensis and three Panax species, identifying 41 components present in all species, while 14 saponins were detected only in some species. Compared to three Panax species, the main roots of P. vietnamensis contained characteristic components such as majonoside R₂, majonoside R₁, and vinaginsenoside R₂. Quantitative analysis of 21 ginsenosides in different Panax species indicated that P. vietnamensis and P. notoginseng contained higher levels of ginsenoside Rg₁, Rd, Rb₁, and notoginsenoside R₁. For instance, the average content of ginsenoside Rg₁ in P. vietnamensis was 25.57 mg/g. Quantitative analysis of ginsenosides in different parts of P. vietnamensis revealed that the taproots and fibrous roots had a diverse array of ginsenosides with higher concentrations, while the stems and leaves contained fewer ginsenosides with lower levels. Significantly, certain components such as notoginsenoside Re and ginsenoside Rd, Re, and Rb2 were present at higher concentrations in the leaves. Based on the qualitative and quantitative analysis results of ginsenosides from different parts of P. vietnamensis, it was concluded that the main roots, fibrous roots, and leaves all have potential for development and utilization. Full article

In this study, we systematically analyzed the dynamic changes in chromatin accessibility and the transcriptional responses in the spleen of largemouth bass (Micropterus salmoides) following infection with iridovirus (LMBV) using the assay for transposase-accessible chromatin with sequencing (ATAC-seq) and transcriptome sequencing (RNA-seq). Based on post-infection survival status, largemouth bass were classified into a resistant group (SR) and a susceptible group (SS). A total of 11,317 differentially accessible regions were identified between the two groups, among which the chromatin accessibility of core promoter regions was entirely increased in the SR group, suggesting that chromatin remodeling in these regions may directly participate in the transcriptional regulation of immune-related genes. Functional enrichment analysis revealed that genes associated with differentially accessible regions were significantly enriched in immune-related pathways such as autophagy, apoptosis, Toll-like receptor signaling, and NOD-like receptor signaling. Motif analysis further identified that transcription factors significantly enriched in the SR group included CTCF and heterodimers composed of multiple members of the ETS and FOX transcription factor families. Through integrative analysis, seven transcription factors (CTCF, Spi1, ETV2::FOXI1, FOXJ2::ELF1, FOXO1::ELK1, SPIC, and FOXO1::ELF1) were found to be significantly enriched in core promoter regions. To further screen for differentially expressed genes directly regulated by chromatin accessibility changes, an overlapping analysis was performed between 629 predicted target genes and 2656 differentially expressed genes (DEGs), resulting in the identification of 71 candidate genes. Among these, three immune-related genes (irf4a, btk, and nfil3-2) belonging to the ETS and FOX families were identified. This study reveals the dynamic chromatin accessibility landscape of largemouth bass in response to LMBV infection and demonstrates that increased chromatin accessibility in core promoter regions is closely associated with the resistant phenotype. Heterodimers of ETS and FOX family transcription factors may participate in antiviral immune responses by regulating the expression of key immune genes such as irf4a, btk, and nfil3-2, providing potential epigenetic molecular markers for disease resistance breeding in fish. Full article

Motivated by the original idea of defending the Roman Empire, all these domination concepts can be interpreted as vertex-labeling schemes that model the allocation of resources to protect a graph against attacks. A Roman dominating function (RDF) is a labeling of the vertices of a graph with labels in $\{0,1,2\}$ such that every vertex labeled 0 is adjacent to at least one vertex labeled 2. The weight of an RDF is the sum of all vertex labels. Vertices labeled 2 are intended to protect their neighbors labeled 0. The Roman domination number is the minimum weight of an RDF on the graph. In 2017, Álvarez et al. introduced strong Roman domination as a variant of Roman domination designed to protect the vertices of a graph against multiple simultaneous attacks. In 2021, Ahangar et al. defined $\left[k\right]$-Roman domination, another model intended to defend a graph against individual attacks on vertices. In this paper, we investigate the computational complexity of the associated decision problems for $\left[k\right]$-Roman domination and strong Roman domination. Furthermore, we determine exact values of these parameters for several graph families under both variants. Full article

A broom graph is a linear graph with some pendant vertices attached to one of its ends. Using the formula for the commute time of the random walk between two vertices of the graph, which is given in terms of the effective resistance between the vertices, we find closed-form formulas for the hitting time index of some families of broom graphs, extending results found by He et al. Full article

In the context of China’s “Dual Carbon” goals, the composite policy mechanism combining carbon trading and carbon taxation is widely considered a key pathway to achieve emission reductions. Although households are a major source of carbon emissions, their consumption behaviour has long remained outside the mainstream carbon reduction system, as existing policies focus primarily on enterprises and lack sufficient household-level participation and incentive mechanisms. Because China has not yet implemented an actual carbon tax, this study uses household high-carbon consumption dependency (HCD) as a proxy variable to capture the hypothetical administrative pressure that a carbon tax would impose on high-carbon consumption. Based on the concept of “Carbon Inclusion”, we construct an analytical framework for a composite mechanism that combines the carbon trading pilot policy (ETS) with this carbon-tax proxy. Using data from the China Family Panel Studies (CFPS) and a two-way fixed-effects panel model, we empirically test the impact of this composite mechanism on household carbon emissions (total volume) and carbon intensity. The findings show that, while the composite mechanism does not lead to a statistically significant reduction in total household carbon emissions, it effectively lowers household carbon intensity by restraining high-carbon consumption and optimizing the consumption structure. This decoupling of intensity from total volume occurs because the mechanism reduces the share of high-carbon consumption (a compositional effect) but does not suppress total consumption growth (a scale effect). This result remains robust across multiple tests, confirming the policy effectiveness of the composite mechanism at the micro-individual level. By reducing carbon intensity without suppressing total consumption, this mechanism contributes directly to sustainable development, aligning with UN Sustainable Development Goals 12 (Responsible Consumption and Production) and 13 (Climate Action). The main contributions of this paper are threefold: (1) it moves beyond traditional single-policy or single-agent studies by linking a carbon-trading-and-proxy-carbon-tax composite mechanism with household carbon consumption; (2) it explores a Carbon Inclusion pathway that connects households, enterprises and the nation; and (3) it provides empirical support and a theoretical reference for improving household-level emission reduction policies and promoting public participation in achieving the “Dual Carbon” goals. Full article

Reliable short-term air traffic forecasts are important for operational planning in national airspace systems. This study develops a transparent forecasting framework for Türkiye’s monthly aircraft movements using publicly available data from the General Directorate of State Airports Authority (DHMİ) for 2018–2025. Because DHMİ releases may follow cumulative within-year reporting, month-specific increments are reconstructed through within-year differencing and checked through simple audit procedures. The empirical analysis compares seasonal naïve, ETS, and a constrained SARIMA family under leakage-free evaluation, combining a strict 2025 holdout with expanding-window rolling-origin validation. Forecast performance is assessed using standard accuracy metrics and complemented by Diebold–Mariano comparisons, which are interpreted cautiously, given the short holdout length. To examine instability around the pandemic period, this study also reports structural-break and stability diagnostics as supportive evidence rather than definitive identification. Uncertainty is evaluated through backtested 80% and 95% prediction intervals, comparing nominal SARIMA intervals, parametric bootstrap, split conformal prediction, and adaptive conformal inference (ACI). The results show that SARIMA provides the strongest point-forecast performance among the benchmarked models, while adaptive conformal calibration offers a useful balance between empirical coverage and interval width under changing conditions. Overall, this study provides a reproducible and operationally interpretable baseline for national air traffic forecasting in Türkiye and a clear benchmark for future multivariate extensions. Full article

Therapeutic playgroups have shown promise in enhancing caregiver–infant mental health outcomes, yet tailored approaches for families following neonatal intensive care unit (NICU) admission remain limited. In this brief report on Quality Improvement, we evaluate key strategies and challenges in implementing an adapted therapeutic playgroup intervention designed for caregivers and infants with a history of NICU hospitalization at University of California, San Francisco and Zuckerberg San Francisco (UCSF) Zuckerberg San Francisco General Hospital (ZSFG) We conducted semi-structured interviews with NICU psychologists to assess local feasibility, barriers, and facilitators to implementation. Implementation science frameworks—the Consolidated Framework for Implementation Research (CFIR) and Proctor et al.’s implementation outcomes framework (acceptability, adoption, appropriateness, feasibility, and sustainability)—were used to guide data organization and interpretation. Qualitative reporting guidelines were followed to enhance transparency in describing interviews and analytic procedures. The psychologists emphasized the importance of embedding therapeutic playgroups within existing clinical workflows, providing flexible delivery models, and customizing curricula to meet cultural and family-specific needs. Multidisciplinary collaboration enhanced feasibility and parent engagement. Barriers included organizational constraints and variability in caregiver readiness. These findings inform local program development and highlight considerations for integrating dyadic mental health support into post-NICU care. Future work should incorporate caregiver perspectives and explore effective interventions across diverse settings. Full article

Background: Hormone receptor-positive (HR+), Human Epidermal growth factor Receptor 2 (HER2-negative) metastatic breast cancer (MBC) represents a substantial proportion of breast cancer cases in Saudi Arabia. Despite the established efficacy of cyclin-dependent kinase 4 and 6 (CDK4/6) inhibitors, particularly Palbociclib, in randomized control trials, real-world data from local institutions in Saudi Arabia remain limited. Objectives: This study aimed to evaluate progression-free survival (PFS), overall survival (OS), and toxicity profile among HR+, HER2-negative MBC female patients treated with Palbociclib at King Fahad Medical City (KFMC). Methods: A retrospective study was conducted on female patients with HR+/HER2-negative MBC treated with oral palbociclib combined with endocrine therapy (ET) at KFMC between January 2021 and September 2024. Data were collected from electronic health records. Descriptive statistics were conducted using mean for continuous variables and frequency for categorical variables. Survival analyses were conducted using Cox regression, log-rank tests and Kaplan–Meier analysis. Results: A total of 169 female patients with HR+/HER2− MBC were included. In the first-line setting, the median PFS was 20.14 months (95% CI: 14.65–30.49), compared with 11.3 months (95% CI: 7.98–not estimable) in the second-line setting. For OS, the median OS values were 53.1 months (95% CI: 41.2–not estimable) in the first-line group and 23.7 months (95% CI: 18.5–not estimable) in the second-line group. Significant predictors of shorter PFS included age, Body Mass Index (BMI), type of ET, cancer type, line of therapy, family history of cancer, and history of VTE. Visceral metastasis (HR = 3.087; p = 0.0229) and ECOG performance status of 4 (HR = 13.86; p = 0.0156) were associated with significantly shorter OS. The most common hematological adverse events (AEs) were neutropenia (45.6%), followed by anemia (5.9%), leukopenia (5.3%), and back pain (5.3%). Most toxicities were managed with dose reduction, holding treatment, or supportive care. Conclusions: Palbociclib demonstrated favorable survival outcomes and a manageable safety profile, with neutropenia being the most common AE. This study provides region-specific real-world evidence supporting the use of Palbociclib in HR+/HER2− MBC. These findings align with global trial data and highlight the importance of individualized treatment in clinical practice. Full article

We report a rare family of pyridine-coordinated iodobismuthate(III) salts supported by alkyltriphenylphosphonium and tetraphenylphosphonium cations. Reactions of BiI₃ with Ph₃PR⁺I⁻ (R = Me, Et, ⁿPr, ⁿBu, Ph) in neat pyridine, followed by crystallization, yield structurally tunable bismuth-halide-pyridine anions dictated by reagent stoichiometry. Combination of BiI₃ and Ph₃PR⁺I⁻ in 2:1 ratio produced [Ph₃PR]₂[BiI₅Py], 1 (R = Me, Et, ⁿPr, Ph), while combination in 1:1 ratio resulted in three compounds: [Ph₃PR][cis-BiI₄Py₂], 2 (R = ⁿPr, Ph), [Ph₃PR][trans-BiI₄Py₂], 3 (R = Me, Et, Ph), and [Ph₃PR]₂[transoid-Bi₂I₈Py₂], 4 (R = Me, Et, ⁿPr, ⁿBu, Ph). In many cases, the compounds were isolated as Py or Et₂O solvates, and in some cases, multiple degrees of solvation or polymorphism were encountered. Hirshfeld analysis of 1–4 showed the major anion–cation/anion/solvent interactions to be H⋯I, H⋯H, and C⋯H. Diffuse reflectance measurements of representative compounds, all of which were yellow-orange to red-orange, revealed bandgaps in the range of 1.9–2.2 eV, where density-of-states KS-DFT calculations attribute the absorption to metal-centered charge transfer within the anionic unit. NLMO and QTAIM analyses further indicate predominantly ionic Bi(III)–I/pyridine bonding with robust inner-sphere coordination that is insensitive to anion speciation. Full article

Oyamel forest, Abies religiosa (Kunth) Schltdl. et Cham., is a high-mountain ecosystem that contains abundant biodiversity, contributes to supporting traditional medicine, and represents a reservoir of medicinal plants. Despite this medicinal relevance, the potential of the flora of the Mexican Oyamel forest from Santuario del Agua Presa Corral de Piedra (SAPCP), Mexico, has been scarcely studied. This review focused on identifying the flora of the SAPCP which has been reported as medicinal resource in the literature through the recovery of ethnomedicinal uses and their proven pharmacological effects. In addition, phytochemical reports of the SAPCP medicinal flora and their pharmacological activities were integrated and analyzed to estimate their medicinal potential. The results showed that the SAPCP forest represents an important source of medicinal plants, with 39% of the total species reporting at least one ethnomedicinal use belonging to different taxonomic families, but mainly included Asteraceae, Lamiaceae, Rosaceae, and Solanaceae. The most commonly observed ethnomedicinal uses among all the species were against inflammation, infections, diarrhea, and diabetes, while antioxidant, antidiabetic, and anti-inflammatory effects were predominantly proven as pharmacological effects. The phytochemical results revealed a great diversity of secondary metabolites, although flavonoids, phenolic acids, and triterpenes were observed in a major number of species, many of which have been proven to exert anti-inflammatory, antidiabetic, and antibacterial effects through several action mechanisms. In conclusion, these results highlight the importance of sustainable management and the conservation of forest species, as they provide a reservoir of medicinal species that produce bioactive metabolites. Full article